Crystallography Open Database

Information card for entry 4312406

Preview

Coordinates	4312406.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(ImH2)3(1)
Chemical name	(C3N2H5)4[Mo8O16(O3P-C6H4-PO3H)4]
Formula	C33 H33 Mo8 N6 O40 P8
Calculated formula	C33 H33 Mo8 N6 O40 P8
Title of publication	Novel Mixed-Valence Heteropolyoxometalates: A Molybdenum Diphosphonate Anion [MoV7MoVIO16(O3PPhPO3H)4]3- and Its One- and Two-Dimensional Assemblies
Authors of publication	Nathalie Calin; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7304 - 7308
a	16.675 ± 0.004 Å
b	17.238 ± 0.001 Å
c	24.881 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7151.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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